N-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 7970-0010 |
| Compound Name: | N-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | CC(C)(C)c1cnnn1c1ccc(cc1)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8427 |
| logD: | 3.8408 |
| logSw: | -4.1373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.507 |
| InChI Key: | DVCDBFXCWOHEGZ-UHFFFAOYSA-N |